PubChemLite - 405098-33-1 (C30H36N2O2)

Structural Information

Molecular Formula

SMILES

CC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)N(C)C)C(=O)C3CCCC4=C3C=C(C=C4)OC

InChI

InChI=1S/C30H36N2O2/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28/h9-19,21,28H,6-8,20H2,1-5H3

InChIKey

DVYASSBBADJRAS-UHFFFAOYSA-N

Compound name

N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	457.28496	216.6
[M+Na]+	479.26690	217.8
[M-H]-	455.27040	227.6
[M+NH4]+	474.31150	225.7
[M+K]+	495.24084	214.6
[M+H-H2O]+	439.27494	204.6
[M+HCOO]-	501.27588	234.6
[M+CH3COO]-	515.29153	249.1
[M+Na-2H]-	477.25235	213.8
[M]+	456.27713	217.3
[M]-	456.27823	217.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.28496

216.6

[M+Na]+

479.26690

217.8

[M-H]-

455.27040

227.6

[M+NH4]+

474.31150

225.7

[M+K]+

495.24084

214.6

[M+H-H2O]+

439.27494

204.6

[M+HCOO]-

501.27588

234.6

[M+CH3COO]-

515.29153

249.1

[M+Na-2H]-

477.25235

213.8

[M]+

456.27713

217.3

[M]-

456.27823

217.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

405098-33-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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